2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate

C13H18N2O5 — CID 54064584

IUPAC2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
SMILESCOC(=O)OCCNc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C13H18N2O5/c1-9(16)15-10-4-5-12(18-2)11(8-10)14-6-7-20-13(17)19-3/h4-5,8,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyMCBGTBJRKWHHJI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.85
Rot. Bonds6

About 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate

2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate (PubChem CID 54064584) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
PubChem CID54064584
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
SMILESCOC(=O)OCCNc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C13H18N2O5/c1-9(16)15-10-4-5-12(18-2)11(8-10)14-6-7-20-13(17)19-3/h4-5,8,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyMCBGTBJRKWHHJI-UHFFFAOYSA-N
XLogP1.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087563
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
2-(5-acetamido-2-methoxyanilino)butanoic acid
CID 115352715
2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 55437408
N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
CID 21325792
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate (CID 54064584) is 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate is COC(=O)OCCNc1cc(NC(C)=O)ccc1OC.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate?
The InChIKey is MCBGTBJRKWHHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9(16)15-10-4-5-12(18-2)11(8-10)14-6-7-20-13(17)19-3/h4-5,8,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate?
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate has a molecular weight of 282.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate is sourced from PubChem (CID 54064584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).